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Compile Data Set for Download or QSAR

Found 232 hits of ec50 data for complexid = 14   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237992
PNG
(US9394285, 75)
Show SMILES OCC1(CC1)c1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C19H16ClNO3/c20-16-8-17-14(15(9-21-17)18(23)24)7-13(16)11-1-3-12(4-2-11)19(10-22)5-6-19/h1-4,7-9,21-22H,5-6,10H2,(H,23,24)
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n/an/an/an/a 0.5n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM50195478
PNG
(CHEMBL3959081)
Show SMILES Cc1ccc(Oc2nc3nc(c(Cl)cc3[nH]2)-c2ccc(cc2)N2CCCC2)cc1C(O)=O
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n/an/an/an/a 1n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of full length human recombinant AMPK alpha1/beta1/gamma1 expressed in baculovirus infected sf21 cells using 5'-FAM-SAMS peptide substrate...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM50195538
PNG
(CHEMBL3898977)
Show SMILES Cc1ccc(Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)N2CCOCC2)cc1P(O)(O)=O
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n/an/an/an/a 1.20n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of full length human recombinant AMPK alpha1/beta1/gamma1 expressed in baculovirus infected sf21 cells using SAMS peptide substrate after ...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237984
PNG
(US9394285, 67)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)-c1ccccc1O
Show InChI InChI=1S/C21H14ClNO3/c22-18-10-19-16(17(11-23-19)21(25)26)9-15(18)13-7-5-12(6-8-13)14-3-1-2-4-20(14)24/h1-11,23-24H,(H,25,26)
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n/an/an/an/a 1.30n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of recombinant human AMPK alpha1/beta1/gamma1 using Cy5-labelled SAMS as substrate assessed as protection from Thr172 residue dephosphoryl...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237962
PNG
(US9394285, 43)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H14ClNO2/c22-19-11-20-17(18(12-23-20)21(24)25)10-16(19)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,23H,(H,24,25)
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n/an/an/an/a 1.70n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM238015
PNG
(US9394285, 101)
Show SMILES OC(=O)c1n[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)-c1ccccc1O
Show InChI InChI=1S/C20H13ClN2O3/c21-16-10-17-15(19(20(25)26)23-22-17)9-14(16)12-7-5-11(6-8-12)13-3-1-2-4-18(13)24/h1-10,24H,(H,22,23)(H,25,26)
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n/an/an/an/a 1.80n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM240776
PNG
(US9422312, 12)
Show SMILES CN(C)S(=N)(=O)c1ccc(cc1)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl
Show InChI InChI=1/C26H26ClN5O5S/c1-32(2)38(28,34)17-9-7-15(8-10-17)14-3-5-16(6-4-14)22-18(27)11-19-25(30-22)31-26(29-19)37-21-13-36-23-20(33)12-35-24(21)23/h3-11,20-21,23-24,28,33H,12-13H2,1-2H3,(H,29,30,31)/t20-,21-,23-,24-,38?/s2
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n/an/an/an/a 2n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In the 384-well plates 1.25 μl of test compound in assay buffer was mixed with 1.25 μl of AMPK and 1.25 μl of the peptide (final concentrati...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237977
PNG
(US9394285, 60 | US9394285, 61)
Show SMILES COc1cc(ccc1C1(O)COC1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C19H16ClNO5/c1-25-17-4-10(2-3-14(17)19(24)8-26-9-19)11-5-12-13(18(22)23)7-21-16(12)6-15(11)20/h2-7,21,24H,8-9H2,1H3,(H,22,23)
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UniProtKB/SwissProt

antibodypedia
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n/an/an/an/a 2.30n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237984
PNG
(US9394285, 67)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)-c1ccccc1O
Show InChI InChI=1S/C21H14ClNO3/c22-18-10-19-16(17(11-23-19)21(25)26)9-15(18)13-7-5-12(6-8-13)14-3-1-2-4-20(14)24/h1-11,23-24H,(H,25,26)
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UniProtKB/SwissProt

antibodypedia
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n/an/an/an/a 2.40n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM238084
PNG
(US9394285, 178 | US9394285, 179)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1CCCCO1
Show InChI InChI=1/C20H18ClNO3/c21-17-10-18-15(16(11-22-18)20(23)24)9-14(17)12-4-6-13(7-5-12)19-3-1-2-8-25-19/h4-7,9-11,19,22H,1-3,8H2,(H,23,24)
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antibodypedia
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n/an/an/an/a 2.60n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM238090
PNG
(US9394285, 185)
Show SMILES COc1nc(ccc1-c1cc2c(c[nH]c2cc1Cl)C(O)=O)N1CC[C@@H](O)C1
Show InChI InChI=1/C19H18ClN3O4/c1-27-18-11(2-3-17(22-18)23-5-4-10(24)9-23)12-6-13-14(19(25)26)8-21-16(13)7-15(12)20/h2-3,6-8,10,21,24H,4-5,9H2,1H3,(H,25,26)/t10-/s2
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antibodypedia
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n/an/an/an/a 2.90n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM50195476
PNG
(CHEMBL3938731)
Show SMILES CS(=O)(=O)Nc1ccc(c(F)c1)-c1ccc(cc1)-c1nc2nc(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)[nH]c2cc1Cl
PDB

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n/an/an/an/a 3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of full length human recombinant N-terminal GST-tagged AMPK alpha1/beta1/gamma1 expressed in baculovirus infected High Five cells using NH...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM50195475
PNG
(CHEMBL3393127)
Show SMILES Cc1ccc(Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc3n(C)ccc3c2)cc1C(O)=O
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n/an/an/an/a 3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of full length human recombinant AMPK alpha1/beta1/gamma1 expressed in baculovirus infected sf21 cells using SAMS peptide substrate after ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237920
PNG
(US9394285, 1)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1
Show InChI InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)
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n/an/an/an/a 3.30n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of recombinant human AMPK alpha1/beta1/gamma1 using Cy5-labelled SAMS as substrate in presence of ATP by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM50195535
PNG
(CHEMBL3968290)
Show SMILES CC(C)(O)c1ccc(cc1)-c1cc2nc(O[C@H]3CO[C@H](CO)[C@@H](O)C3)[nH]c2cc1Cl
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/an/an/a 4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of full length human recombinant AMPK alpha1/beta1/gamma1 expressed in baculovirus infected sf21 cells using 5'-FAM-SAMS peptide substrate...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237920
PNG
(US9394285, 1)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1
Show InChI InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)
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antibodypedia
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n/an/an/an/a 4.20n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of full length human phosphorylated His-tagged AMPK alpha1/beta1/gamma1 expressed in Escherichia coli BL21-CodonPlus (DE3)-RIPL using SAMS...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237920
PNG
(US9394285, 1)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1
Show InChI InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)
PDB

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antibodypedia
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US Patent
n/an/an/an/a 4.20n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237985
PNG
(US9394285, 68)
Show SMILES OC(=O)c1c[nH]c2cc(Br)c(cc12)-c1ccc(cc1)-c1ccccc1O
Show InChI InChI=1S/C21H14BrNO3/c22-18-10-19-16(17(11-23-19)21(25)26)9-15(18)13-7-5-12(6-8-13)14-3-1-2-4-20(14)24/h1-11,23-24H,(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/an/an/a 4.30n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237989
PNG
(US9394285, 72)
Show SMILES OCC1(CCC1)c1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C20H18ClNO3/c21-17-9-18-15(16(10-22-18)19(24)25)8-14(17)12-2-4-13(5-3-12)20(11-23)6-1-7-20/h2-5,8-10,22-23H,1,6-7,11H2,(H,24,25)
PDB

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antibodypedia
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n/an/an/an/a 4.30n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM238082
PNG
(US9394285, 176)
Show SMILES CO[C@@H]1CCN(C1)c1ccc(c(OC)n1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1/C20H20ClN3O4/c1-27-11-5-6-24(10-11)18-4-3-12(19(23-18)28-2)13-7-14-15(20(25)26)9-22-17(14)8-16(13)21/h3-4,7-9,11,22H,5-6,10H2,1-2H3,(H,25,26)/t11-/s2
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n/an/an/an/a 5.60n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM238089
PNG
(US9394285, 184)
Show SMILES COc1nc(ccc1-c1cc2c(c[nH]c2cc1Cl)C(O)=O)N1CC[C@H](O)C1
Show InChI InChI=1/C19H18ClN3O4/c1-27-18-11(2-3-17(22-18)23-5-4-10(24)9-23)12-6-13-14(19(25)26)8-21-16(13)7-15(12)20/h2-3,6-8,10,21,24H,4-5,9H2,1H3,(H,25,26)/t10-/s2
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UniProtKB/SwissProt

antibodypedia
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n/an/an/an/a 6.20n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM238048
PNG
(US9394285, 135)
Show SMILES OC(=O)c1n[nH]c2cc(F)c(cc12)-c1ccc(cc1)-c1ccccc1O
Show InChI InChI=1S/C20H13FN2O3/c21-16-10-17-15(19(20(25)26)23-22-17)9-14(16)12-7-5-11(6-8-12)13-3-1-2-4-18(13)24/h1-10,24H,(H,22,23)(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/an/an/a 6.5n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM238059
PNG
(US9394285, 148)
Show SMILES CC(C)(CO)c1ccc(cc1O)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C19H18ClNO4/c1-19(2,9-22)14-4-3-10(5-17(14)23)11-6-12-13(18(24)25)8-21-16(12)7-15(11)20/h3-8,21-23H,9H2,1-2H3,(H,24,25)
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n/an/an/an/a 6.56n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237932
PNG
(US9394285, 13)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1F)C1(O)CCC1
Show InChI InChI=1S/C19H15ClFNO3/c20-15-8-17-13(14(9-22-17)18(23)24)7-12(15)11-3-2-10(6-16(11)21)19(25)4-1-5-19/h2-3,6-9,22,25H,1,4-5H2,(H,23,24)
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n/an/an/an/a 6.90n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237920
PNG
(US9394285, 1)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1
Show InChI InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)
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n/an/an/an/a 7n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of recombinant human AMPK alpha1/beta1/gamma1 using Cy5-labelled SAMS as substrate assessed as protection from Thr172 residue dephosphoryl...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM260437
PNG
(US9527839, 26)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)-c1c(F)cc2[nH]c(O[C@H]3CO[C@H](CO)[C@@H](O)C3)nc2c1F
Show InChI InChI=1/C26H24F2N2O6S/c1-37(33,34)18-8-6-15(7-9-18)14-2-4-16(5-3-14)23-19(27)11-20-25(24(23)28)30-26(29-20)36-17-10-21(32)22(12-31)35-13-17/h2-9,11,17,21-22,31-32H,10,12-13H2,1H3,(H,29,30)/t17-,21+,22-/s2
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n/an/an/an/a 7n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The in vitro AMPK activation assay is performed in a volume of 30 ul in a 384-well plate. Enzyme reactions were assembled in the microtiter plate by ...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM238077
PNG
(US9394285, 169 | US9394285, 170)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(c(F)c12)-c1ccc(cc1)C1CCCCO1
Show InChI InChI=1/C20H17ClFNO3/c21-14-9-15-18(13(10-23-15)20(24)25)19(22)17(14)12-6-4-11(5-7-12)16-3-1-2-8-26-16/h4-7,9-10,16,23H,1-3,8H2,(H,24,25)
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n/an/an/an/a 7.06n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237955
PNG
(US9394285, 36)
Show SMILES CC(C)(CO)c1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C19H18ClNO3/c1-19(2,10-22)12-5-3-11(4-6-12)13-7-14-15(18(23)24)9-21-17(14)8-16(13)20/h3-9,21-22H,10H2,1-2H3,(H,23,24)
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n/an/an/an/a 7.10n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237977
PNG
(US9394285, 60 | US9394285, 61)
Show SMILES COc1cc(ccc1C1(O)COC1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C19H16ClNO5/c1-25-17-4-10(2-3-14(17)19(24)8-26-9-19)11-5-12-13(18(22)23)7-21-16(12)6-15(11)20/h2-7,21,24H,8-9H2,1H3,(H,22,23)
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n/an/an/an/a 7.80n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237920
PNG
(US9394285, 1)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1
Show InChI InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)
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n/an/an/an/a 8.20n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of recombinant human AMPK alpha1/beta1/gamma1 assessed as protection from Thr172 residue dephosphorylation preincubated for 15 mins follow...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM238017
PNG
(US9394285, 103)
Show SMILES OC(=O)c1n[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1
Show InChI InChI=1S/C18H15ClN2O3/c19-14-9-15-13(16(17(22)23)21-20-15)8-12(14)10-2-4-11(5-3-10)18(24)6-1-7-18/h2-5,8-9,24H,1,6-7H2,(H,20,21)(H,22,23)
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n/an/an/an/a 8.30n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM238017
PNG
(US9394285, 103)
Show SMILES OC(=O)c1n[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1
Show InChI InChI=1S/C18H15ClN2O3/c19-14-9-15-13(16(17(22)23)21-20-15)8-12(14)10-2-4-11(5-3-10)18(24)6-1-7-18/h2-5,8-9,24H,1,6-7H2,(H,20,21)(H,22,23)
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n/an/an/an/a 8.30n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of full length human phosphorylated His-tagged AMPK alpha1/beta1/gamma1 expressed in Escherichia coli BL21-CodonPlus (DE3)-RIPL using SAMS...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM238069
PNG
(US9394285, 161)
Show SMILES COc1nc(ccc1-c1cc2c(c[nH]c2cc1Cl)C(O)=O)N1CCC(O)C1
Show InChI InChI=1/C19H18ClN3O4/c1-27-18-11(2-3-17(22-18)23-5-4-10(24)9-23)12-6-13-14(19(25)26)8-21-16(13)7-15(12)20/h2-3,6-8,10,21,24H,4-5,9H2,1H3,(H,25,26)
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n/an/an/an/a 8.33n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM238052
PNG
(US9394285, 141 | US9394285, 167)
Show SMILES OCC1(CCC1)c1ccc(cc1)-c1c(F)cc2[nH]cc(C(O)=O)c2c1F
Show InChI InChI=1S/C20H17F2NO3/c21-14-8-15-17(13(9-23-15)19(25)26)18(22)16(14)11-2-4-12(5-3-11)20(10-24)6-1-7-20/h2-5,8-9,23-24H,1,6-7,10H2,(H,25,26)
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n/an/an/an/a 9.30n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM238052
PNG
(US9394285, 141 | US9394285, 167)
Show SMILES OCC1(CCC1)c1ccc(cc1)-c1c(F)cc2[nH]cc(C(O)=O)c2c1F
Show InChI InChI=1S/C20H17F2NO3/c21-14-8-15-17(13(9-23-15)19(25)26)18(22)16(14)11-2-4-12(5-3-11)20(10-24)6-1-7-20/h2-5,8-9,23-24H,1,6-7,10H2,(H,25,26)
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n/an/an/an/a 9.33n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237960
PNG
(US9394285, 41)
Show SMILES Cc1cc(ccc1C1(O)CCC1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C20H18ClNO3/c1-11-7-12(3-4-16(11)20(25)5-2-6-20)13-8-14-15(19(23)24)10-22-18(14)9-17(13)21/h3-4,7-10,22,25H,2,5-6H2,1H3,(H,23,24)
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n/an/an/an/a 9.60n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM238058
PNG
(US9394285, 147)
Show SMILES CS(=O)(=O)NC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1
Show InChI InChI=1S/C20H19ClN2O4S/c1-28(26,27)23-19(24)16-11-22-18-10-17(21)14(9-15(16)18)12-3-5-13(6-4-12)20(25)7-2-8-20/h3-6,9-11,22,25H,2,7-8H2,1H3,(H,23,24)
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n/an/an/an/a 10.1n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM238071
PNG
(US9394285, 163)
Show SMILES CC(C)(CO)c1ccc(cc1F)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C19H17ClFNO3/c1-19(2,9-23)14-4-3-10(5-16(14)21)11-6-12-13(18(24)25)8-22-17(12)7-15(11)20/h3-8,22-23H,9H2,1-2H3,(H,24,25)
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n/an/an/an/a 10.3n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM238078
PNG
(US9394285, 171 | US9394285, 172)
Show SMILES OC(=O)c1c[nH]c2cc(F)c(cc12)-c1ccc(cc1)C1CCCCO1
Show InChI InChI=1/C20H18FNO3/c21-17-10-18-15(16(11-22-18)20(23)24)9-14(17)12-4-6-13(7-5-12)19-3-1-2-8-25-19/h4-7,9-11,19,22H,1-3,8H2,(H,23,24)
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n/an/an/an/a 11.0n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM50195534
PNG
(CHEMBL3957286)
Show SMILES O[C@@H]1CO[C@@H]2[C@@H](CO[C@H]12)Oc1nc2cc(c(Cl)cc2[nH]1)-c1ccc(cc1)-c1c(O)cccc1O
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n/an/an/an/a 11n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant AMPK alpha1/beta1/gamma1 expressed in African green monkey COS7 cells assessed as increase in biotinylated AAC (1 to ...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237958
PNG
(US9394285, 39)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(OCCCN2CCOCC2)cc1
Show InChI InChI=1S/C22H23ClN2O4/c23-20-13-21-18(19(14-24-21)22(26)27)12-17(20)15-2-4-16(5-3-15)29-9-1-6-25-7-10-28-11-8-25/h2-5,12-14,24H,1,6-11H2,(H,26,27)
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n/an/an/an/a 11.1n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM238085
PNG
(US9394285, 180)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(OCCn2cccn2)cc1
Show InChI InChI=1S/C20H16ClN3O3/c21-18-11-19-16(17(12-22-19)20(25)26)10-15(18)13-2-4-14(5-3-13)27-9-8-24-7-1-6-23-24/h1-7,10-12,22H,8-9H2,(H,25,26)
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n/an/an/an/a 11.6n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM238079
PNG
(US9394285, 173)
Show SMILES COc1nc(ccc1-c1cc2c(c[nH]c2cc1Cl)C(O)=O)N(C)C
Show InChI InChI=1S/C17H16ClN3O3/c1-21(2)15-5-4-9(16(20-15)24-3)10-6-11-12(17(22)23)8-19-14(11)7-13(10)18/h4-8,19H,1-3H3,(H,22,23)
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n/an/an/an/a 11.7n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM238071
PNG
(US9394285, 163)
Show SMILES CC(C)(CO)c1ccc(cc1F)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C19H17ClFNO3/c1-19(2,9-23)14-4-3-10(5-16(14)21)11-6-12-13(18(24)25)8-22-17(12)7-15(11)20/h3-8,22-23H,9H2,1-2H3,(H,24,25)
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n/an/an/an/a 12.9n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237941
PNG
(US9394285, 22)
Show SMILES OCC1(CC1)c1ccc(cc1)-c1c(F)cc2[nH]cc(C(O)=O)c2c1F
Show InChI InChI=1S/C19H15F2NO3/c20-13-7-14-16(12(8-22-14)18(24)25)17(21)15(13)10-1-3-11(4-2-10)19(9-23)5-6-19/h1-4,7-8,22-23H,5-6,9H2,(H,24,25)
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n/an/an/an/a 13.7n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237988
PNG
(US9394285, 71)
Show SMILES OCCc1ccc(cc1)-c1cc2c(c[nH]c2cc1Cl)C(O)=O
Show InChI InChI=1S/C17H14ClNO3/c18-15-8-16-13(14(9-19-16)17(21)22)7-12(15)11-3-1-10(2-4-11)5-6-20/h1-4,7-9,19-20H,5-6H2,(H,21,22)
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n/an/an/an/a 14n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM238084
PNG
(US9394285, 178 | US9394285, 179)
Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1CCCCO1
Show InChI InChI=1/C20H18ClNO3/c21-17-10-18-15(16(11-22-18)20(23)24)9-14(17)12-4-6-13(7-5-12)19-3-1-2-8-25-19/h4-7,9-11,19,22H,1-3,8H2,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
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PC cid
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UniChem
US Patent
n/an/an/an/a 14.2n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM240769
PNG
(US9422312, 5)
Show SMILES CS(=O)(=Nc1ccc(cc1)-c1ccc(cc1)-c1nc2[nH]c(O[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)nc2cc1Cl)N1CCC1
Show InChI InChI=1/C28H28ClN5O5S/c1-40(36,34-11-2-12-34)33-19-9-7-17(8-10-19)16-3-5-18(6-4-16)24-20(29)13-21-27(31-24)32-28(30-21)39-23-15-38-25-22(35)14-37-26(23)25/h3-10,13,22-23,25-26,35H,2,11-12,14-15H2,1H3,(H,30,31,32)/t22-,23-,25-,26-,40?/s2
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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PC cid
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UniChem
US Patent
n/an/an/an/a 15n/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
In the 384-well plates 1.25 μl of test compound in assay buffer was mixed with 1.25 μl of AMPK and 1.25 μl of the peptide (final concentrati...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM238080
PNG
(US9394285, 174)
Show SMILES COc1nc(ccc1-c1cc2c(c[nH]c2cc1Cl)C(O)=O)N1CCOCC1
Show InChI InChI=1S/C19H18ClN3O4/c1-26-18-11(2-3-17(22-18)23-4-6-27-7-5-23)12-8-13-14(19(24)25)10-21-16(13)9-15(12)20/h2-3,8-10,21H,4-7H2,1H3,(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 15.3n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM237942
PNG
(US9394285, 23)
Show SMILES OCC1(CC1)c1ccc(cc1)-c1cc2c(c[nH]c2cc1C#N)C(O)=O
Show InChI InChI=1S/C20H16N2O3/c21-9-13-7-18-16(17(10-22-18)19(24)25)8-15(13)12-1-3-14(4-2-12)20(11-23)5-6-20/h1-4,7-8,10,22-23H,5-6,11H2,(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 16n/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The biochemical EC50 (half-maximal concentration required for full activation) of compounds for the activation of AMPK was evaluated by 33P-based ass...


Citation and Details
More data for this
Ligand-Target Pair
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